Basic information
- Standard SMILES
CCC(C)C(NC(=O)c1cccnc1)C(=O)OC- InChIKey
NJSMMEPGJPMLQC-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2-[pyridine-3-carbonyl-amino]-pentanoic acid methyl ester
- IUPAC
- methyl 3-methyl-2-(pyridine-3-carbonylamino)pentanoate
Names & synonyms
SCHEMBL2282615NJSMMEPGJPMLQC-UHFFFAOYSA-N3-methyl-2-[pyridine-3-carbonyl-amino]-pentanoic acid methyl ester
Database identifiers
- PubChem CID
- 67347281
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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